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Molecular dynamics on vector computers

✍ Scribed by Francis Sullivan; Raymond D Mountain; Julie O'Connellf


Book ID
103158874
Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
905 KB
Volume
61
Category
Article
ISSN
0021-9991

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Vector and parallel algorithms for the m
✍ John E. Mertz; Douglas J. Tobias; Charles L. Brooks III; U. C. Singh πŸ“‚ Article πŸ“… 1991 πŸ› John Wiley and Sons 🌐 English βš– 797 KB

## Abstract A detailed description of vector/parallel algorithms for the molecular dynamics (MD) simulation of macromolecular systems on multiple processor, shared‐memory computers is presented. The algorithms encompass three computationally intensive portions of typical MD programs: (__1__) the ev